SCHEMBL16655468

SCHEMBL16655468

Nc1ncnn2c(C3Cc4ccccc4C3)cc(-c3cc(O)c(F)c(F)c3)c12

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 18/20 0.53
▸ PIK3CD O00329 2/20 0.49
▸ BTK Q06187 2/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23917416 0.81 PIK3CD (0.53) PIK3CDBTK
SCHEMBL16655528 0.73 PIK3CD (0.41) ACVRL1PIK3CD
SCHEMBL16654148 0.70 PIK3CD (0.67) PIK3CDBTK
SCHEMBL16011297 0.69 ACVRL1 (1.00) ACVRL1
SCHEMBL14488673 0.69 ACVRL1 (1.00) ACVRL1
SCHEMBL16655780 0.69 TNK2 (0.55) PIK3CDBTK
Hydrochloric Acid SCHEMBL23908623 0.69 PIK3CD (0.66) PIK3CDBTK
SCHEMBL16655086 0.68 PIK3CD (0.45) PIK3CDBTK
SCHEMBL16011145 0.67 ACVRL1 (1.00) ACVRL1
SCHEMBL16654722 0.67 PIK3CD (0.61) PIK3CDBTK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 — — US disclosed
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 — — US disclosed
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 — — EP disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 — — WO disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB ACVRL1 4469/4885PIK3CD 2/4885BTK 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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